N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide

C15H22BrN3O2 — CID 60963762

IUPACN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N(CC(N)=O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H22BrN3O2/c1-11(2)18-8-7-15(21)19(10-14(17)20)9-12-3-5-13(16)6-4-12/h3-6,11,18H,7-10H2,1-2H3,(H2,17,20)
InChIKeyBOWHSTCWTFJLPZ-UHFFFAOYSA-N
MW356.26 g/mol
LogP1.65
Rot. Bonds8

About N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide

N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide (PubChem CID 60963762) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide
PubChem CID60963762
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC NameN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N(CC(N)=O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H22BrN3O2/c1-11(2)18-8-7-15(21)19(10-14(17)20)9-12-3-5-13(16)6-4-12/h3-6,11,18H,7-10H2,1-2H3,(H2,17,20)
InChIKeyBOWHSTCWTFJLPZ-UHFFFAOYSA-N
XLogP1.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)propanamide
CID 62835708
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)butanamide
CID 62837088
2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide
CID 47374439
methyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate
CID 60946952
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79201773
3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide
CID 106112171
N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide
CID 60854868
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide
CID 60963304
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide
CID 61264658
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide
CID 60912130
4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride
CID 120562616
N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54873511

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide (CID 60963762) is N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)N(CC(N)=O)Cc1ccc(Br)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is BOWHSTCWTFJLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-11(2)18-8-7-15(21)19(10-14(17)20)9-12-3-5-13(16)6-4-12/h3-6,11,18H,7-10H2,1-2H3,(H2,17,20).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide?
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 356.26 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60963762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).